SCHEMBL27367558

SCHEMBL27367558

N#Cc1cccc(Br)c1CCBr

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2780319 0.84 DYRK1A (0.42) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL30568075 0.84 DYRK1A (0.42) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL12490214 0.83 MEN1 (0.42) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL2134361 0.83 ALDH1A1 (0.39) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL10830908 0.79 TDP1 (0.42) TDP1
SCHEMBL12490313 0.78 DYRK1A (0.41) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL2131306 0.78 DYRK1A (0.41) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL21768190 0.78 DYRK1A (0.41) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL30831844 0.78 DYRK1A (0.41) DYRK1ATSHRLMNANPC1RAB9A
SCHEMBL28044154 0.77 GABRA1 (0.39) TSHRCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed